2-bromo-N-cyclohexyl-N-methylbenzamide

Base Information

• Chemical Name: 2-bromo-N-cyclohexyl-N-methylbenzamide
• CAS No.: 349395-89-7
• Molecular Formula: C14H18 Br N O
• Molecular Weight: 296.207
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60367065
• Wikidata: Q82152653
• Mol file: 349395-89-7.mol

Synonyms:2-bromo-N-cyclohexyl-N-methylbenzamide;349395-89-7;N-Cyclohexyl-N-methyl 2-bromobenzamide;SCHEMBL3456758;DTXSID60367065;ZNA39589;MFCD01211895;STK057325;AKOS000190931;N-Cyclohexyl-N-methyl-2-bromobenzamide;BS-23743;CS-0451467;2-bromo-N~1~-cyclohexyl-N~1~-methylbenzamide;A874822;SR-01000206370;SR-01000206370-1

Chemical Property of 2-bromo-N-cyclohexyl-N-methylbenzamide

Chemical Property:

• PSA: 20.31000
• LogP: 3.85380
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 295.05718
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

97% ^*data from raw suppliers

N-Cyclohexyl-N-methyl 2-bromobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1CCCCC1)C(=O)C2=CC=CC=C2Br

Technology Process of 2-bromo-N-cyclohexyl-N-methylbenzamide

There total 1 articles about 2-bromo-N-cyclohexyl-N-methylbenzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

N-methylcyclohexylamine (100-60-7) + 2-bromobenzoic acid chloride (7154-66-7) → 2-bromo-N-cyclohexyl-N-methylbenzamide (349395-89-7)

Guidance literature:

With triethylamine; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1016/S0957-4166(98)00394-2

Reference yield: 84.0%

2-bromo-N-cyclohexyl-N-methylbenzamide (349395-89-7) → 2-cyclohexyl-2,3-dihydro-1H-isoindol-1-one (3823-13-0)

Guidance literature:

With tri(cyclohexylmethyl)acetic acid; potassium carbonate; palladium dichloride; In N,N-dimethyl acetamide; at 90 ℃; for 16h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201804566

Reference yield: 13.0%

2-bromo-N-cyclohexyl-N-methylbenzamide (349395-89-7) → 2'-methylspiro[cyclohexane-1,1'-isoindolin]-3'-one (23659-74-7) + 2-cyclohexyl-2,3-dihydro-1H-isoindol-1-one (3823-13-0)

Guidance literature:

With 1,10-Phenanthroline; sodium t-butanolate; In 1,4-dioxane; at 145 ℃; for 15h; Reagent/catalyst; Solvent; Catalytic behavior; Glovebox; Sealed tube;

DOI:10.1021/ol402869h

upstream raw materials:

N-methylcyclohexylamine

2-bromobenzoic acid chloride

Downstream raw materials:

N-(2-bromobenzyl)-N-methylcyclohexylamine

2-cyclohexyl-2,3-dihydro-1H-isoindol-1-one

2'-methylspiro[cyclohexane-1,1'-isoindolin]-3'-one

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